SCHEMBL848282

SCHEMBL848282

COc1ccc(C(C)C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
CARM1 Q86X55 1/20 0.49
PLA2G1B P04054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2D6 P10635 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28984986 0.84 KDM4E (0.50) KDM4ECARM1PLA2G1BTDP1ATG4B
SCHEMBL13385181 0.84 DYRK1A (0.47) CARM1MAPTKMT2AMEN1NPBWR1
SCHEMBL20969660 0.83 CYP2D6 (0.50) CARM1KMT2AMEN1GAACYP2D6
SCHEMBL12248178 0.83 ADRA2A (0.46) MAPTKMT2AMEN1HTTGAA
SCHEMBL31003156 0.83 ADRA2A (0.46) MAPTKMT2AMEN1HTTGAA
SCHEMBL9946003 0.83 TDP1 (0.54) KDM4ECARM1PLA2G1BTDP1ATG4B
SCHEMBL2737299 0.83 CYP2D6 (0.47) CYP1A2CYP2A6KMT2AMEN1HTT
SCHEMBL10304814 0.82 CYP2D6 (0.50) CYP1A2CYP2A6KMT2AMEN1HTT
SCHEMBL9182033 0.81 GAA (0.41) KDM4EMAPTCYP1A2CYP2A6KMT2A
SCHEMBL6209642 0.81 KDM4E (0.41) KDM4EMAPTCYP1A2CYP2A6KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 204 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-06-25 US disclosed
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT BEIJING BAYI SPACE LIQUID CRYSTAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE OSAKA UNIVERSITY (JP) 2023-08-31 US disclosed
US-11730810-B2 Composition comprising an antigen and a substituted imidazo[1,2-a]pyrimidine for enhancing human immune response CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-08-22 US disclosed
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20090062542-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-03-05 US disclosed
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication GILEAD SCIENCES, INC. 2008-09-11 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use ANACOR PHARMACEUTICALS (US) 2007-11-15 US disclosed
US-7279469-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
US-4837301-A FROM ALKALI MTEAL SULFIDES AND AROMATIC DIHALOGEN COMPOUNDS; IMPROVED CORROSION RESISTANCE BAYER AKTIENGESELLSCHAFT (DE) 1989-06-06 US disclosed
EP-0275007-A2 Process for the preparation of highly molecular, optionally branched polyarylene sulfides BAYER AG (DE) 1988-07-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 KDM4E 2644/4885CARM1 2397/4885PLA2G1B 125/4885
US-20230183219-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 KDM4E 2342/4885CARM1 1008/4885PLA2G1B 2142/4885
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 KDM4E 1531/4885CARM1 3157/4885PLA2G1B 2697/4885
US-20090062542-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same IK, TYR, EYA2 KDM4E 1716/4885CARM1 916/4885PLA2G1B 4164/4885
US-12018045-B2 17-beta-hydroxywithanolides and use thereof in treating cancer HSD17B7, CYP17A1, HSD17B11 KDM4E 3479/4885CARM1 2027/4885PLA2G1B 1124/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 KDM4E 1188/4885CARM1 708/4885PLA2G1B 4175/4885
US-20230276701-A1 ORGANIC COMPOUND AND ORGANIC LIGHT EMISSION DEVICE ESR1, ECE1, ESYT1 KDM4E 1619/4885CARM1 4414/4885PLA2G1B 4406/4885
US-11730810-B2 Composition comprising an antigen and a substituted imidazo[1,2-a]pyrimidine for enhancing human immune response CD4, MYD88, STING1 KDM4E 3625/4885CARM1 2531/4885PLA2G1B 690/4885
US-20080221159-A1 Inhibitors of human immunodeficiency virus replication RTF2, RTF1, POLR1E KDM4E 1488/4885CARM1 1246/4885PLA2G1B 4564/4885
US-20070265226-A1 Hydrolytically-Resistant Boron-Containing Therapeutics And Methods Of Use GAA, BTD, MANBA KDM4E 2487/4885CARM1 3237/4885PLA2G1B 1844/4885
US-20230234959-A1 BICYCLIC UREA KINASE INHIBITORS AND USES THEREOF SIK1, SIK2, SIK3 KDM4E 3066/4885CARM1 1777/4885PLA2G1B 3178/4885
US-11725011-B2 Bicyclic urea kinase inhibitors and uses thereof SIK1, SIK2, SIK3 KDM4E 3066/4885CARM1 1777/4885PLA2G1B 3178/4885
US-20230348508-A1 METAL COMPLEX, ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME, AND CONSUMER PRODUCT TRPM5, TRPM6, TRPM2 KDM4E 1288/4885CARM1 3406/4885PLA2G1B 2013/4885
US-20070149506-A1 Azepine inhibitors of Janus kinases JAK1, JAK3, JAK2 KDM4E 201/4885CARM1 989/4885PLA2G1B 4199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.